ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate

C21H41NO6Si — CID 90004269

IUPACditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1(CO)C(=O)OC(C)(C)C
InChIInChI=1S/C21H41NO6Si/c1-18(2,3)26-16(24)21(14-23)12-15(28-29(10,11)20(7,8)9)13-22(21)17(25)27-19(4,5)6/h15,23H,12-14H2,1-11H3
InChIKeyJCEKKAXBPMPTJF-UHFFFAOYSA-N
MW431.65 g/mol
LogP4.09
Rot. Bonds4

About ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate

ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate (PubChem CID 90004269) has the molecular formula C21H41NO6Si and a molecular weight of 431.65 g/mol. Its IUPAC name is ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
PubChem CID90004269
Molecular FormulaC21H41NO6Si
Molecular Weight431.65 g/mol
Exact Mass431.27
IUPAC Nameditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1(CO)C(=O)OC(C)(C)C
InChIInChI=1S/C21H41NO6Si/c1-18(2,3)26-16(24)21(14-23)12-15(28-29(10,11)20(7,8)9)13-22(21)17(25)27-19(4,5)6/h15,23H,12-14H2,1-11H3
InChIKeyJCEKKAXBPMPTJF-UHFFFAOYSA-N
XLogP4.09
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.65
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate (CID 90004269) is ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1(CO)C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate?
The InChIKey is JCEKKAXBPMPTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO6Si/c1-18(2,3)26-16(24)21(14-23)12-15(28-29(10,11)20(7,8)9)13-22(21)17(25)27-19(4,5)6/h15,23H,12-14H2,1-11H3.
What are the key properties of ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate?
ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate has a molecular weight of 431.65 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 90004269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).